Molecule

ID:38219

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClFN₂O
Molecular Mass
300.7993832
Exact Mass
300.14046923
Charge
0
InChI
InChI=1S/C15H21FN2O.ClH/c16-14-4-2-1-3-13(14)7-10-18-15(19)11-12-5-8-17-9-6-12;/h1-4,12,17H,5-11H2,(H,18,19);1H
InChIKey
LCONECTUMRSQFW-UHFFFAOYSA-N
Canonic Smiles
O=C(CC1CCNCC1)NCCc1ccccc1F.Cl
Isomeric Smiles
C(=O)(NCCc1c(F)cccc1)CC1CCNCC1.Cl
Calculated Properties
JChem
Acid pKa
15.231508
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.5799938
LogD (pH = 7.4)
-0.9144103
Log P
1.6414033
Molar Refractivity
73.9533
Polarizability
28.560062
Polar Surface Area
41.13
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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